#MD System 2.0 @Title neb0_image03 @Columns AsymmetricAtom AtomicNumber int 0 Connections string {{}} Fractional double {{0.0 0.0 0.0}} Name string {{}} Site int 1 WyckoffPosition int -1 @end @data 6 {} {0.36189002416 0.55621124447 0.413269946734} C1 1 1 14 {} {0.338657081557 0.529718887362 0.523920402853} Si1 2 1 14 {} {0.423510111051 0.566923495906 0.408894199303} Si2 3 1 8 {} {0.351775847577 0.586410457846 0.599880022934} O1 4 1 8 {} {0.283540729165 0.528238239691 0.51680861859} O2 5 1 6 {} {0.357481623254 0.444434878248 0.558613829307} C2 6 1 6 {} {0.454599285713 0.486562607635 0.394258411237} C3 7 1 8 {} {0.436485307771 0.601929246891 0.507762294838} O3 8 1 8 {} {0.436411557482 0.618611300905 0.3260422987} O4 9 1 14 {} {0.233281365495 0.532518592899 0.558162003587} Si3 10 1 7 {} {0.213618780781 0.454386038628 0.592348865317} N1 11 1 14 {} {0.191141072237 0.446100482624 0.699805487785} Si4 12 1 14 {} {0.214119973808 0.386719255002 0.517237959741} Si5 13 1 7 {} {0.208041344461 0.40783882906 0.406773460089} N2 14 1 7 {} {0.140698327499 0.485138381825 0.720040018303} N3 15 1 1 {} {0.351964510791 0.52047938087 0.360905059665} H1 16 1 1 {} {0.346388876735 0.604606781637 0.396189500575} H2 17 1 1 {} {0.381650446265 0.604760809024 0.590371806807} H3 18 1 1 {} {0.348815137078 0.405829349977 0.509290900567} H4 19 1 1 {} {0.34176681324 0.430606532832 0.62231065146} H5 20 1 1 {} {0.393833546398 0.443198247796 0.568638391792} H6 21 1 1 {} {0.490651917811 0.496167433548 0.391261340086} H7 22 1 1 {} {0.445072708554 0.462187054593 0.331312489622} H8 23 1 1 {} {0.448381994299 0.451089028322 0.448814437519} H9 24 1 1 {} {0.467341019268 0.616069299277 0.513933015282} H10 25 1 1 {} {0.468437118346 0.619734396418 0.314357556879} H11 26 1 1 {} {0.23152486679 0.576713476823 0.638465566649} H12 27 1 1 {} {0.204321037523 0.560604997157 0.486580996165} H13 28 1 1 {} {0.184434161288 0.373012294147 0.7141063213} H14 29 1 1 {} {0.22267793606 0.475255322949 0.765861220772} H15 30 1 1 {} {0.257367518105 0.350089784667 0.523074694586} H16 31 1 1 {} {0.176510651513 0.342120915834 0.543891543158} H17 32 1 1 {} {0.235034055594 0.422548157121 0.370820915105} H18 33 1 1 {} {0.180041657513 0.431312376339 0.384703268989} H19 34 1 1 {} {0.139910115965 0.534739919082 0.734957250623} H20 35 1 1 {} {0.112667634969 0.471332550402 0.686512833973} H21 36 1 6 {} {0.628989702436 0.636389221561 0.349696158644} C4 37 1 14 {} {0.585945034047 0.573917879143 0.387111684956} Si6 38 1 14 {} {0.623291663318 0.72486815022 0.386237219519} Si7 39 1 8 {} {0.535925729593 0.610570639302 0.381671735075} O5 40 1 8 {} {0.586473198954 0.509517223445 0.320078953008} O6 41 1 6 {} {0.596768771689 0.541980618981 0.502062709545} C5 42 1 6 {} {0.641392197014 0.741878260796 0.503444674482} C6 43 1 8 {} {0.568420750525 0.739705720844 0.374782105864} O7 44 1 8 {} {0.651040524277 0.774188117617 0.316352110088} O8 45 1 14 {} {0.580164701408 0.448950253183 0.247106648235} Si8 46 1 7 {} {0.592676217131 0.370904765242 0.290124917169} N4 47 1 14 {} {0.549088405601 0.314583704278 0.313584145772} Si9 48 1 14 {} {0.647276482528 0.345565055516 0.315382505649} Si10 49 1 7 {} {0.688283491822 0.391827850237 0.264166795734} N5 50 1 7 {} {0.52521046227 0.271549364366 0.226655861514} N6 51 1 1 {} {0.662387811701 0.618051342454 0.368408674253} H22 52 1 1 {} {0.628118298629 0.637157193099 0.276045120959} H23 53 1 1 {} {0.538723836795 0.659607692432 0.377184390156} H24 54 1 1 {} {0.628869551227 0.515382769313 0.50493484917} H25 55 1 1 {} {0.570620095129 0.506497512989 0.522338133397} H26 56 1 1 {} {0.597656853866 0.582532519949 0.551611991642} H27 57 1 1 {} {0.636145701721 0.794650721962 0.521627579888} H28 58 1 1 {} {0.676980315193 0.73045336525 0.51280604211} H29 59 1 1 {} {0.62240176095 0.711323090237 0.551184632632} H30 60 1 1 {} {0.557875747451 0.785504856685 0.371832166082} H31 61 1 1 {} {0.668927209621 0.809924775439 0.341398221409} H32 62 1 1 {} {0.532529495892 0.44699728796 0.218346421496} H33 63 1 1 {} {0.609396300293 0.465078696346 0.169647825099} H34 64 1 1 {} {0.569021545913 0.263820071043 0.374773289793} H35 65 1 1 {} {0.512265986908 0.352527769787 0.356855329197} H36 66 1 1 {} {0.656533893653 0.351712549659 0.412896414962} H37 67 1 1 {} {0.651099909416 0.274156853795 0.287240986509} H38 68 1 1 {} {0.701606161102 0.4325527447 0.294519700423} H39 69 1 1 {} {0.691245002022 0.394740548787 0.196880409584} H40 70 1 1 {} {0.50291229402 0.294708427962 0.185715754386} H41 71 1 1 {} {0.542611075594 0.235958607714 0.192667889293} H42 72 1 @end @Columns Cell Constraints string {a b c A B G} Origin int {{0 0 0}} Parameters double {{10.0 10.0 10.0 90.0 90.0 90.0}} PrimitiveData double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} RotationMatrix double {{{1.0 0.0 0.0} {0.0 1.0 0.0} {0.0 0.0 1.0}}} SpaceGroup string P1 SpaceGroupNumber int 1 ToCartesians double {{{10.0 0.0 0.0} {0.0 10.0 0.0} {0.0 0.0 10.0}}} ToFractionals double {{{0.10000000000000001 0.0 0.0} {0.0 0.10000000000000001 0.0} {0.0 0.0 0.10000000000000001}}} @end @data {a b c A B G} {0 0 0} {30 20 15 90 90 90} {{1 0 0} {0 1 0} {0 0 1}} {{1 0 0} {0 1 0} {0 0 1}} P1 1 {{30 0 0} {0 20 0} {0 0 15}} {{0.0333333333333 0 0} {0 0.05 0} {0 0 0.0666666666667}} @end @Columns AsymmetricBond Atom1 reference AsymmetricAtom Atom2 reference AsymmetricAtom Key int 0 Order int 0 @end @data 56 41 0 0 50 47 0 0 2 0 0 0 58 42 0 0 44 38 0 0 70 50 0 0 69 49 0 0 34 14 0 0 48 46 0 0 52 36 0 0 6 2 0 0 49 48 0 0 62 45 0 0 21 6 0 0 7 2 0 0 22 6 0 0 8 2 0 0 27 9 0 0 33 13 0 0 37 36 0 0 23 6 0 0 59 42 0 0 12 10 0 0 54 41 0 0 51 36 0 0 61 44 0 0 16 0 0 0 20 5 0 0 19 5 0 0 13 12 0 0 1 0 0 0 43 38 0 0 10 9 0 0 68 49 0 0 53 39 0 0 3 1 0 0 47 46 0 0 60 43 0 0 4 1 0 0 18 5 0 0 5 1 0 0 67 48 0 0 26 9 0 0 32 13 0 0 46 45 0 0 17 3 0 0 11 10 0 0 9 4 0 0 15 0 0 0 25 8 0 0 31 12 0 0 42 38 0 0 64 47 0 0 24 7 0 0 29 11 0 0 40 37 0 0 39 37 0 0 41 37 0 0 66 48 0 0 57 42 0 0 38 36 0 0 65 47 0 0 30 12 0 0 28 11 0 0 71 50 0 0 45 40 0 0 35 14 0 0 55 41 0 0 14 11 0 0 63 45 0 0 @end @Columns Bond AsymmetricBond reference AsymmetricBond Atom1 reference Atom Atom2 reference Atom CellOffset2 int {{0 0 0}} Key int 0 @end @data 0 56 41 {0 0 0} 0 1 47 50 {0 0 0} 0 2 0 2 {0 0 0} 0 3 58 42 {0 0 0} 0 4 38 44 {0 0 0} 0 5 50 70 {0 0 0} 0 6 49 69 {0 0 0} 0 7 14 34 {0 0 0} 0 8 46 48 {0 0 0} 0 9 36 52 {0 0 0} 0 10 2 6 {0 0 0} 0 11 48 49 {0 0 0} 0 12 45 62 {0 0 0} 0 13 21 6 {0 0 0} 0 14 7 2 {0 0 0} 0 15 22 6 {0 0 0} 0 16 8 2 {0 0 0} 0 17 9 27 {0 0 0} 0 18 13 33 {0 0 0} 0 19 36 37 {0 0 0} 0 20 23 6 {0 0 0} 0 21 59 42 {0 0 0} 0 22 10 12 {0 0 0} 0 23 41 54 {0 0 0} 0 24 51 36 {0 0 0} 0 25 44 61 {0 0 0} 0 26 0 16 {0 0 0} 0 27 5 20 {0 0 0} 0 28 5 19 {0 0 0} 0 29 12 13 {0 0 0} 0 30 0 1 {0 0 0} 0 31 38 43 {0 0 0} 0 32 10 9 {0 0 0} 0 33 49 68 {0 0 0} 0 34 39 53 {0 0 0} 0 35 3 1 {0 0 0} 0 36 46 47 {0 0 0} 0 37 43 60 {0 0 0} 0 38 4 1 {0 0 0} 0 39 18 5 {0 0 0} 0 40 1 5 {0 0 0} 0 41 48 67 {0 0 0} 0 42 9 26 {0 0 0} 0 43 13 32 {0 0 0} 0 44 45 46 {0 0 0} 0 45 3 17 {0 0 0} 0 46 10 11 {0 0 0} 0 47 4 9 {0 0 0} 0 48 15 0 {0 0 0} 0 49 8 25 {0 0 0} 0 50 12 31 {0 0 0} 0 51 38 42 {0 0 0} 0 52 64 47 {0 0 0} 0 53 7 24 {0 0 0} 0 54 11 29 {0 0 0} 0 55 40 37 {0 0 0} 0 56 39 37 {0 0 0} 0 57 37 41 {0 0 0} 0 58 66 48 {0 0 0} 0 59 42 57 {0 0 0} 0 60 38 36 {0 0 0} 0 61 65 47 {0 0 0} 0 62 30 12 {0 0 0} 0 63 28 11 {0 0 0} 0 64 50 71 {0 0 0} 0 65 45 40 {0 0 0} 0 66 14 35 {0 0 0} 0 67 55 41 {0 0 0} 0 68 11 14 {0 0 0} 0 69 63 45 {0 0 0} 0 @end @Columns Subset Color string {{#65d9f0}} Criteria string {{}} DisplayLine int 0 IeqJ int 1 IgtJ int 0 IltJ int 0 Length int 1 Name string {{}} Table string {{}} Type string atom UseColor int 0 @end @data @end